[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

C24H24N4OS — CID 51032953

IUPAC[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)N1CCCCC1
InChIInChI=1S/C24H24N4OS/c1-17-21(24(29)27-14-8-3-9-15-27)30-23(25-17)22-26-19-12-6-7-13-20(19)28(22)16-18-10-4-2-5-11-18/h2,4-7,10-13H,3,8-9,14-16H2,1H3
InChIKeyNHQDACUHZFCMNS-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.14
Rot. Bonds4

About [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 51032953) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID51032953
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)N1CCCCC1
InChIInChI=1S/C24H24N4OS/c1-17-21(24(29)27-14-8-3-9-15-27)30-23(25-17)22-26-19-12-6-7-13-20(19)28(22)16-18-10-4-2-5-11-18/h2,4-7,10-13H,3,8-9,14-16H2,1H3
InChIKeyNHQDACUHZFCMNS-UHFFFAOYSA-N
XLogP5.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

YM298198
CID 9819432
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(piperidin-1-yl)thiophene-2-carboxamide
CID 25190537
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(piperazin-1-yl)thiophene-2-carboxamide
CID 25190538
5-(azetidin-1-ylcarbonyl)-3-methyl-6-{[2-(methylamino)-1H-1,3-benzodiazol-1-yl]methyl}-1-(2-methylpropyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
CID 16102867
N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)thiophene-2-carboxamide
CID 1507925
8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione
CID 650200
6-(4-fluorophenyl)-N,3-dimethyl-N-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029632
(S)-N-(1-(1-(3-(4-(4-p-tolylthiazol-2-yl)piperazin-1-yl)propyl)-1H-benzo[d]imidazol-2-yl)ethyl)acetamide
CID 24819709
YM 298198 hydrochloride
CID 45073464
3-hexyl-11-(thiophen-2-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
CID 664247
7-[2-(1,3-Benzothiazol-2-ylthio)ethyl]-1,3-dimethyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione
CID 667037
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)acetamide
CID 1017396

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 51032953) is [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is Cc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)N1CCCCC1.
What is the InChIKey of [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is NHQDACUHZFCMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-17-21(24(29)27-14-8-3-9-15-27)30-23(25-17)22-26-19-12-6-7-13-20(19)28(22)16-18-10-4-2-5-11-18/h2,4-7,10-13H,3,8-9,14-16H2,1H3.
What are the key properties of [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 416.55 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 51032953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).